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Compound Detail

CHEMBL5411194

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O=C1CCC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411194
Phase Preclinical
Structure Type MOL
InChI Key NPABDSZTIVRCAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.8
MW (Da)
4.13
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClF3N2O2
MW 382.77
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
36893624 10.1016/j.ejmech.2023.115234 P2X purinoceptor 7 2
37582195 10.1021/acs.jmedchem.3c00837 P2X purinoceptor 7 2

Data from ChEMBL 36 via Core Engine